CID 45792289

2-chloro-4-(4,5-dihydro-1h-imidazol-2-yl)pyridine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
C1CN=C(N1)C2=CC(=NC=C2)Cl
InChI
InChI=1S/C8H8ClN3/c9-7-5-6(1-2-10-7)8-11-3-4-12-8/h1-2,5H,3-4H2,(H,11,12)
InChIKey
DFGYJWVECSFNLI-UHFFFAOYSA-N
Compound name
2-chloro-4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.04068 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 135.8
[M+Na]+ 204.029898 145.1
[M-H]- 180.033404 136.9
[M+NH4]+ 199.074503 153.3
[M+K]+ 220.003838 140.0
[M+H-H2O]+ 164.037940 127.5
[M+HCOO]- 226.038881 151.2
[M+CH3COO]- 240.054531 148.2
[M+Na-2H]- 202.015346 141.5
[M]+ 181.04013142 133.8
[M]- 181.04122858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.